SCHEMBL29276175

SCHEMBL29276175

CC(C)(C)OC(=O)N1CCCC(Oc2nnc(Cl)c3ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.46
CHEK2 O96017 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HPGDS O60760 1/20 0.44
USP30 Q70CQ3 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
PDE4B Q07343 1/20 0.41
ACKR3 P25106 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29276170 1.00 PIK3CD (0.46) PIK3CDCHEK2PRMT5WDR77HPGDS
SCHEMBL21221766 0.94 PIK3CD (0.51) PIK3CDUSP30PIK3CAPIK3CBPIK3CG
SCHEMBL27224460 0.86 BTK (0.45) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL29131913 0.85 BTK (0.40) PIK3CDJAK2JAK1
SCHEMBL29131909 0.85 BTK (0.40) PIK3CDJAK2JAK1
SCHEMBL29131921 0.84 PIK3CD (0.42) PIK3CDCHEK2PRMT5WDR77USP30
SCHEMBL29131923 0.84 PIK3CD (0.42) PIK3CDCHEK2PRMT5WDR77USP30
SCHEMBL28934426 0.81 PIK3CD (0.46) PIK3CDCHEK2PRMT5WDR77USP30
SCHEMBL28934423 0.81 PIK3CD (0.46) PIK3CDCHEK2PRMT5WDR77USP30
SCHEMBL24840030 0.80 PRMT5 (0.46) PRMT5HPGDSUSP30ACKR3JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed